⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8082084 | 0.87 | — | — | |
| SCHEMBL7804899 | 0.87 | — | — | |
| SCHEMBL9083510 | 0.86 | CA2 (0.35) | — | |
| SCHEMBL7840049 | 0.86 | CA2 (0.39) | — | |
| SCHEMBL8082142 | 0.80 | CA2 (0.31) | — | |
| SCHEMBL7839023 | 0.80 | — | — | |
| SCHEMBL7838596 | 0.78 | — | — | |
| SCHEMBL7836528 | 0.78 | TSHR (0.36) | — | |
| SCHEMBL9082183 | 0.77 | — | — | |
| SCHEMBL8752101 | 0.76 | TSHR (0.39) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0675172-B1 | Water-solable azo compounds, process for their preparation and their use as dyestuffs | DYSTAR TEXTILFARBEN GMBH & CO (DE) | 2001-04-11 | — | — | EP | disclosed |
| US-5539088-A | PROVIDE DYEINGS IN BRILLIANT SHADES WITH GOOD FASTNESS PROPERTIES AND HIGH DEGREE OF FIXATION | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-07-23 | — | — | US | disclosed |
| EP-0629667-A1 | Water-soluble fiber-reactive dyes, process for their preparation and the use thereof | HOECHST AKTIENGESELLSCHAFT (DE) | 1994-12-21 | — | — | EP | disclosed |